SCHEMBL10501994

SCHEMBL10501994

COc1ccc(-n2[se]c3ccccc3c2=S)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ METAP2 P50579 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ MAPT P10636 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10502075 0.87 METAP2 (0.68) POLBMETAP2ALDH1A1MAPK1
SCHEMBL10501110 0.84 METAP2 (0.47) POLBMETAP2ALDH1A1MAPK1MAPT
SCHEMBL10501763 0.81 ALDH1A1 (0.44) POLBMETAP2ALDH1A1MAPTHTT
SCHEMBL10501743 0.80 METAP2 (0.54) METAP2ALDH1A1MAPTHTT
SCHEMBL10500974 0.78 METAP2 (0.54) METAP2ALDH1A1MAPTHTT
SCHEMBL10501435 0.76 SMN1; SMN2 (0.45) METAP2ALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL10502143 0.75 METAP2 (0.45) METAP2ALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL10501336 0.73 METAP2 (0.50) POLBMETAP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL10502310 0.73 METAP2 (0.52) POLBMETAP2ALDH1A1MAPTHTT
SCHEMBL10502111 0.73 METAP2 (0.68) POLBMETAP2ALDH1A1MAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0154851-B1 BENZISOSELENAZOLETHIONES,PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PRODUCTS CONTAINING THESE COMPOUNDS A. Nattermann & Cie. GmbH (DE) 1989-08-02 — — EP disclosed
US-4711961-A Benzisoselenazolethiones and process for the treatment of various diseases in humans A. NATTERMANN & CIE GMBH (DE) 1987-12-08 — — US disclosed
EP-0154851-A1 Benzisoselenazolethiones,process for their preparation and pharmaceutical products containing these compounds A. Nattermann & Cie. GmbH (DE) 1985-09-18 — — EP disclosed
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